2-imidazolidin-1-ylnonadecan-1-amine

C22H47N3 — CID 70543181

IUPAC2-imidazolidin-1-ylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCC(CN)N1CCNC1
InChIInChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(20-23)25-19-18-24-21-25/h22,24H,2-21,23H2,1H3
InChIKeyJXTBLESTFIDCIH-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.44
Rot. Bonds18

About 2-imidazolidin-1-ylnonadecan-1-amine

2-imidazolidin-1-ylnonadecan-1-amine (PubChem CID 70543181) has the molecular formula C22H47N3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-imidazolidin-1-ylnonadecan-1-amine.

Molecular Properties

Compound Name2-imidazolidin-1-ylnonadecan-1-amine
PubChem CID70543181
Molecular FormulaC22H47N3
Molecular Weight353.64 g/mol
Exact Mass353.38
IUPAC Name2-imidazolidin-1-ylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCC(CN)N1CCNC1
InChIInChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(20-23)25-19-18-24-21-25/h22,24H,2-21,23H2,1H3
InChIKeyJXTBLESTFIDCIH-UHFFFAOYSA-N
XLogP5.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-imidazolidin-1-ylhexadecan-1-amine
CID 174368135
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-thiomorpholin-4-ylheptan-1-amine
CID 43130462
1-(3-methylheptan-2-yl)imidazolidine
CID 174705189
2-(4,4-diethylpiperidin-1-yl)octan-1-amine
CID 55192466
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
1-heptan-2-ylpiperazine
CID 61464712
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064

Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-ylnonadecan-1-amine?
The IUPAC name of 2-imidazolidin-1-ylnonadecan-1-amine (CID 70543181) is 2-imidazolidin-1-ylnonadecan-1-amine.
What is the SMILES notation for 2-imidazolidin-1-ylnonadecan-1-amine?
The canonical SMILES for 2-imidazolidin-1-ylnonadecan-1-amine is CCCCCCCCCCCCCCCCCC(CN)N1CCNC1.
What is the InChIKey of 2-imidazolidin-1-ylnonadecan-1-amine?
The InChIKey is JXTBLESTFIDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(20-23)25-19-18-24-21-25/h22,24H,2-21,23H2,1H3.
What are the key properties of 2-imidazolidin-1-ylnonadecan-1-amine?
2-imidazolidin-1-ylnonadecan-1-amine has a molecular weight of 353.64 g/mol, XLogP of 5.44, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-ylnonadecan-1-amine is sourced from PubChem (CID 70543181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).